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

Systemtic Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3-nitro-benzoate Openeye Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-3-nitro-benzoate CAS Name: 2-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-3-nitrobenzoate IUPAC Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3-nitrobenzoate Traditional Name: 2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-3-nitro-benzoate Formula: C19H17N2O7S- MolecularWeight: 417.41248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7S/c1-2-28-19(25)15-10-6-3-4-9-13(10)29-17(15)20-16(22)14-11(18(23)24)7-5-8-12(14)21(26)27/h5,7-8H,2-4,6,9H2,1H3,(H,20,22)(H,23,24)/p-1