[2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S/c18-15(22)14-11-2-1-3-12(11)27-16(14)19-13(21)8-26-17(23)9-4-6-10(7-5-9)20(24)25/h4-7H,1-3,8H2,(H2,18,22)(H,19,21)