methyl 3-chloranyl-6-[(3-nitrophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3-nitrophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3-nitrophenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3-nitrophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(3-nitrophenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H12ClN3O4S2 MolecularWeight: 421.87788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O4S2/c1-25-16(22)15-14(18)12-6-5-10(8-13(12)27-15)20-17(26)19-9-3-2-4-11(7-9)21(23)24/h2-8H,1H3,(H2,19,20,26)