2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-nitro-benzoate

Systemtic Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-nitro-benzoate Openeye Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-nitro-benzoate CAS Name: 2-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-4-nitrobenzoate IUPAC Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-nitrobenzoate Traditional Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-nitro-benzoate Formula: C17H12N3O5S- MolecularWeight: 370.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)[O-])C#N

InChI

InChI=1S/C17H13N3O5S/c18-8-13-10-3-1-2-4-14(10)26-16(13)19-15(21)12-7-9(20(24)25)5-6-11(12)17(22)23/h5-7H,1-4H2,(H,19,21)(H,22,23)/p-1