methyl 6-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(5-nitro-2-pyridyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(5-nitro-2-pyridyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S2/c1-9-3-5-11-12(7-9)27-15(14(11)16(22)25-2)20-17(26)19-13-6-4-10(8-18-13)21(23)24/h4,6,8-9H,3,5,7H2,1-2H3,(H2,18,19,20,26)