diethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H20N2O5S3 MolecularWeight: 464.5782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O5S3/c1-4-26-18(24)15-11(3)16(19(25)27-5-2)30-17(15)22-14(23)10-28-20-21-12-8-6-7-9-13(12)29-20/h6-9H,4-5,10H2,1-3H3,(H,22,23)