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

Systemtic Name: diethyl 5-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C19H18ClN3O4S3 MolecularWeight: 484.01192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C19H18ClN3O4S3/c1-4-26-16(24)12-9(3)14(17(25)27-5-2)30-15(12)22-18(28)23-19-21-13-10(20)7-6-8-11(13)29-19/h6-8H,4-5H2,1-3H3,(H2,21,22,23,28)