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

Systemtic Name: ethyl 2-[2-(5-nitrothiophen-2-yl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(5-nitrothiophene-2-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(5-nitro-2-thiophenyl)-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-nitrothiophene-2-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(5-nitrothiophene-2-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20N2O7S2 MolecularWeight: 452.5013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7S2/c1-3-27-19(24)15-11-6-4-5-7-12(11)30-17(15)20-16(22)10(2)28-18(23)13-8-9-14(29-13)21(25)26/h8-10H,3-7H2,1-2H3,(H,20,22)