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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(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=C1C=C(C#N)C(=O)NC2=C(C=CS2)C#N)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC2=C(C=CS2)C#N)OC(=O)C3=CC=C(C=C3)Cl

InChI

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