methyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H14ClN3O2S3 MolecularWeight: 411.94926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C16H14ClN3O2S3/c1-3-8-7-9(14(21)22-2)13(24-8)19-15(23)20-16-18-12-10(17)5-4-6-11(12)25-16/h4-7H,3H2,1-2H3,(H2,18,19,20,23)