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

Systemtic Name: dimethyl 5-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H14ClN3O4S3 MolecularWeight: 455.95876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C17H14ClN3O4S3/c1-7-10(14(22)24-2)13(28-12(7)15(23)25-3)20-16(26)21-17-19-11-8(18)5-4-6-9(11)27-17/h4-6H,1-3H3,(H2,19,20,21,26)