methyl 3-chloranyl-6-[(5-nitropyridin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(5-nitropyridin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(5-nitro-2-pyridyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(5-nitropyridin-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(5-nitro-2-pyridyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H11ClN4O4S2 MolecularWeight: 422.86594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN4O4S2/c1-25-15(22)14-13(17)10-4-2-8(6-11(10)27-14)19-16(26)20-12-5-3-9(7-18-12)21(23)24/h2-7H,1H3,(H2,18,19,20,26)