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

Systemtic Name: ethyl 4-[(3-nitro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate Openeye Name: ethyl 4-[(3-nitro-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoate CAS Name: 4-[[(3-nitro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-nitro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoate Traditional Name: 4-[(3-nitro-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzoic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c1-2-25-18(22)12-9-7-11(8-10-12)16(21)19-17-15(20(23)24)13-5-3-4-6-14(13)26-17/h7-10H,2-6H2,1H3,(H,19,21)