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

Systemtic Name: dimethyl 5-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C18H16N2O5S3 MolecularWeight: 436.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C18H16N2O5S3/c1-9-13(16(22)24-2)15(28-14(9)17(23)25-3)20-12(21)8-26-18-19-10-6-4-5-7-11(10)27-18/h4-7H,8H2,1-3H3,(H,20,21)