2-diethylaminoethyl 4-azanyl-2-chloranyl-benzoate; 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 2-diethylaminoethyl 4-azanyl-2-chloranyl-benzoate; 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 2-diethylaminoethyl 4-amino-2-chloro-benzoate; 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 4-amino-2-chlorobenzoic acid 2-diethylaminoethyl ester; 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 2-diethylaminoethyl 4-amino-2-chlorobenzoate; 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 4-amino-2-chloro-benzoic acid 2-diethylaminoethyl ester; 7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C29H37ClN4O6S MolecularWeight: 605.14528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C16H18N2O4S.C13H19ClN2O2/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-6,9H,3-4,7-8,15H2,1-2H3