[4-[2-cyano-3-oxidanylidene-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]prop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-cyano-3-oxo-3-[[4-(2-thienyl)thiazol-2-yl]amino]prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-cyano-3-oxo-3-[(4-thiophen-2-yl-2-thiazolyl)amino]prop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]prop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-cyano-3-keto-3-[[4-(2-thienyl)thiazol-2-yl]amino]prop-1-enyl]phenyl] ester Formula: C25H17N3O3S2 MolecularWeight: 471.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=NC(=CS3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=NC(=CS3)C4=CC=CS4

InChI

InChI=1S/C25H17N3O3S2/c1-16-4-8-18(9-5-16)24(30)31-20-10-6-17(7-11-20)13-19(14-26)23(29)28-25-27-21(15-33-25)22-3-2-12-32-22/h2-13,15H,1H3,(H,27,28,29)