[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C=CC2=CC=C(S2)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)/C=C/C2=CC=C(S2)Br)C#N

InChI

InChI=1S/C16H11BrN2O3S/c17-14-6-4-13(23-14)5-7-16(21)22-10-15(20)19-12-3-1-2-11(8-12)9-18/h1-8H,10H2,(H,19,20)/b7-5+