[3-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [3-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzoate Openeye Name: [3-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]phenyl] ester Formula: C22H12ClN3O3S MolecularWeight: 433.86698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)C=C(C#N)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)/C=C(\C#N)/C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H12ClN3O3S/c23-18-6-4-15(5-7-18)22(28)29-19-3-1-2-14(11-19)10-17(13-25)20(27)26-21-16(12-24)8-9-30-21/h1-11H,(H,26,27)/b17-10+