methyl 4-[[3-[(Z)-2-(2-aminophenyl)sulfanyl-2-azanyl-1-cyano-ethenyl]phenyl]-oxidanyl-methyl]benzoate

Systemtic Name: methyl 4-[[3-[(Z)-2-(2-aminophenyl)sulfanyl-2-azanyl-1-cyano-ethenyl]phenyl]-oxidanyl-methyl]benzoate Openeye Name: methyl 4-[[3-[(Z)-2-amino-2-(2-aminophenyl)sulfanyl-1-cyano-vinyl]phenyl]-hydroxy-methyl]benzoate CAS Name: 4-[[3-[(Z)-2-amino-2-[(2-aminophenyl)thio]-1-cyanoethenyl]phenyl]-hydroxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(Z)-2-amino-2-(2-aminophenyl)sulfanyl-1-cyanoethenyl]phenyl]-hydroxymethyl]benzoate Traditional Name: 4-[[3-[(Z)-2-amino-2-[(2-aminophenyl)thio]-1-cyano-vinyl]phenyl]-hydroxy-methyl]benzoic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C2=CC=CC(=C2)C(=C(N)SC3=CC=CC=C3N)C#N)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C2=CC=CC(=C2)/C(=C(\N)/SC3=CC=CC=C3N)/C#N)O

InChI

InChI=1S/C24H21N3O3S/c1-30-24(29)16-11-9-15(10-12-16)22(28)18-6-4-5-17(13-18)19(14-25)23(27)31-21-8-3-2-7-20(21)26/h2-13,22,28H,26-27H2,1H3/b23-19+