methyl 2-[2-(4-methylphenyl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-methylphenyl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(p-tolylsulfanyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(p-tolylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16N2O3S2/c1-11-3-6-13(7-4-11)24-10-16(21)20-18-19-14-8-5-12(17(22)23-2)9-15(14)25-18/h3-9H,10H2,1-2H3,(H,19,20,21)