methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethylindol-3-yl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethylindol-3-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethylindol-3-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethyl-3-indolyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethylindol-3-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(1-ethylindol-3-yl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C26H20BrN3O3S MolecularWeight: 534.4243

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C26H20BrN3O3S/c1-3-30-14-18(20-6-4-5-7-22(20)30)12-17(13-28)24(31)29-25-23(26(32)33-2)21(15-34-25)16-8-10-19(27)11-9-16/h4-12,14-15H,3H2,1-2H3,(H,29,31)/b17-12+