[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)NCC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)NCC(=O)N)C

InChI

InChI=1S/C20H22N2O4S/c1-13-6-7-17(14(2)8-13)27-12-15-4-3-5-16(9-15)20(25)26-11-19(24)22-10-18(21)23/h3-9H,10-12H2,1-2H3,(H2,21,23)(H,22,24)