ethyl 2-[[(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-[5-(1,3-benzothiazol-2-yl)-2-furyl]-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[5-(1,3-benzothiazol-2-yl)-2-furanyl]-2-cyano-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[5-(1,3-benzothiazol-2-yl)-2-furyl]-2-cyano-acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H19N3O4S2 MolecularWeight: 525.59816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(O3)C4=NC5=CC=CC=C5S4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(O3)C4=NC5=CC=CC=C5S4)/C#N

InChI

InChI=1S/C28H19N3O4S2/c1-2-34-28(33)24-20(17-8-4-3-5-9-17)16-36-27(24)31-25(32)18(15-29)14-19-12-13-22(35-19)26-30-21-10-6-7-11-23(21)37-26/h3-14,16H,2H2,1H3,(H,31,32)/b18-14+