methyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[3-(5-nitro-2-thienyl)prop-2-enoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-(5-nitro-2-thienyl)acryloyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S2/c1-25-18(22)16-12-5-3-2-4-6-13(12)27-17(16)19-14(21)9-7-11-8-10-15(26-11)20(23)24/h7-10H,2-6H2,1H3,(H,19,21)