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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN2O4S/c1-13(2)26-22(27)15(12-25)10-14-8-9-17(18(11-14)29-3)30-23(28)21-20(24)16-6-4-5-7-19(16)31-21/h4-11,13H,1-3H3,(H,26,27)/b15-10+