ethyl 6-methyl-2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[3-(5-nitro-2-thienyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[3-(5-nitro-2-thienyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S2/c1-3-26-19(23)17-13-7-4-11(2)10-14(13)28-18(17)20-15(22)8-5-12-6-9-16(27-12)21(24)25/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,20,22)