[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-azanyl-2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-amino-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enoate CAS Name: 3-amino-3-mercapto-2-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-propenoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-amino-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanylprop-2-enoate Traditional Name: 3-amino-2-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]-3-mercapto-acrylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C(=C(N)S)C=C2C=CC=CC2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C(=C(N)S)C=C2C=CC=CC2=O)Br

InChI

InChI=1S/C19H17BrN2O4S/c1-11-8-13(6-7-15(11)20)22-17(24)10-26-19(25)14(18(21)27)9-12-4-2-3-5-16(12)23/h2-9,27H,10,21H2,1H3,(H,22,24)