methyl 3-chloranyl-6-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-ethoxy-2-nitro-phenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H16ClN3O5S2 MolecularWeight: 465.93044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O5S2/c1-3-28-11-5-7-13(14(9-11)23(25)26)22-19(29)21-10-4-6-12-15(8-10)30-17(16(12)20)18(24)27-2/h4-9H,3H2,1-2H3,(H2,21,22,29)