methyl 2-[(6-nitro-2,3-dihydroindol-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 2-[(6-nitro-2,3-dihydroindol-1-yl)carbothioylamino]benzoate Openeye Name: methyl 2-[(6-nitroindoline-1-carbothioyl)amino]benzoate CAS Name: 2-[[(6-nitro-2,3-dihydroindol-1-yl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-nitro-2,3-dihydroindole-1-carbothioyl)amino]benzoate Traditional Name: 2-[(6-nitroindoline-1-carbothioyl)amino]benzoic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-24-16(21)13-4-2-3-5-14(13)18-17(25)19-9-8-11-6-7-12(20(22)23)10-15(11)19/h2-7,10H,8-9H2,1H3,(H,18,25)