ethyl 2-[[(E)-2-cyano-3-[1-[(4-nitrophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[1-[(4-nitrophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[1-[(4-nitrophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[1-[(4-nitrophenyl)methyl]-3-indolyl]-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-[1-[(4-nitrophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[1-(4-nitrobenzyl)indol-3-yl]acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H26N4O5S MolecularWeight: 554.61624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)[N+](=O)[O-])/C#N

InChI

InChI=1S/C30H26N4O5S/c1-2-39-30(36)27-24-8-4-6-10-26(24)40-29(27)32-28(35)20(16-31)15-21-18-33(25-9-5-3-7-23(21)25)17-19-11-13-22(14-12-19)34(37)38/h3,5,7,9,11-15,18H,2,4,6,8,10,17H2,1H3,(H,32,35)/b20-15+