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

Systemtic Name: diethyl 5-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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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=C(C(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C

InChI

InChI=1S/C21H23N3O4S3/c1-6-27-18(25)15-12(5)16(19(26)28-7-2)31-17(15)23-20(29)24-21-22-13-8-10(3)11(4)9-14(13)30-21/h8-9H,6-7H2,1-5H3,(H2,22,23,24,29)