methyl 4-[(E)-3-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[2-keto-2-(2-methyl-4-thiocyanato-anilino)ethoxy]prop-1-enyl]benzoic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H18N2O5S/c1-14-11-17(29-13-22)8-9-18(14)23-19(24)12-28-20(25)10-5-15-3-6-16(7-4-15)21(26)27-2/h3-11H,12H2,1-2H3,(H,23,24)/b10-5+