[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C20H13ClN2O3S MolecularWeight: 396.84682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C=CC(=O)OCC(=O)NC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)/C=C/C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C20H13ClN2O3S/c21-20-15-6-1-2-7-16(15)27-17(20)8-9-19(25)26-12-18(24)23-14-5-3-4-13(10-14)11-22/h1-10H,12H2,(H,23,24)/b9-8+