methyl 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-5-methyl-benzoate

Systemtic Name: methyl 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-5-methyl-benzoate Openeye Name: methyl 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-5-methyl-benzoate CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-5-methylbenzoate Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-5-methyl-benzoic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCSCC(=O)N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCSCC(=O)N)C(=O)OC

InChI

InChI=1S/C14H18N2O4S/c1-9-3-4-11(10(7-9)14(19)20-2)16-13(18)5-6-21-8-12(15)17/h3-4,7H,5-6,8H2,1-2H3,(H2,15,17)(H,16,18)