diethyl 3-methyl-5-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H25N3O4S3 MolecularWeight: 467.6252

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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)CC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC3=C(S2)CC(CC3)C

InChI

InChI=1S/C20H25N3O4S3/c1-5-26-17(24)14-11(4)15(18(25)27-6-2)30-16(14)22-19(28)23-20-21-12-8-7-10(3)9-13(12)29-20/h10H,5-9H2,1-4H3,(H2,21,22,23,28)