dimethyl 5-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H19N3O4S3 MolecularWeight: 449.56686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C19H19N3O4S3/c1-8-6-11-12(7-9(8)2)28-19(20-11)22-18(27)21-15-13(16(23)25-4)10(3)14(29-15)17(24)26-5/h6-7H,1-5H3,(H2,20,21,22,27)