methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H14N2O3S3 MolecularWeight: 378.48896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C16H14N2O3S3/c1-9-7-10(15(20)21-2)14(23-9)18-13(19)8-22-16-17-11-5-3-4-6-12(11)24-16/h3-7H,8H2,1-2H3,(H,18,19)