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

Systemtic Name: ethyl 3-[3-(3-nitrophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[3-(3-nitrophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-nitrophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[3-(3-nitrophenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-2-27-20(24)19-18(15-8-3-4-9-16(15)28-19)21-17(23)11-10-13-6-5-7-14(12-13)22(25)26/h5-7,10-12H,2-4,8-9H2,1H3,(H,21,23)