[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H13ClN2O4S MolecularWeight: 412.84622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H13ClN2O4S/c1-26-15-9-11(8-12(10-22)19(23)24)6-7-14(15)27-20(25)18-17(21)13-4-2-3-5-16(13)28-18/h2-9H,1H3,(H2,23,24)/b12-8+