6-[(4-methoxyphenyl)carbamothioylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[(4-methoxyphenyl)carbamothioylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(4-methoxyphenyl)carbamothioylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(4-methoxyphenyl)carbamothioylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-6-[(4-methoxyphenyl)thiocarbamoylamino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=S)NC3=CC=C(C=C3)OC)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=S)NC3=CC=C(C=C3)OC)C(=O)O)C

InChI

InChI=1S/C16H19N3O4S2/c1-16(2)11(14(21)22)19-12(20)10(13(19)25-16)18-15(24)17-8-4-6-9(23-3)7-5-8/h4-7,10-11,13H,1-3H3,(H,21,22)(H2,17,18,24)