ethyl 2-[4-(4-methylphenyl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(4-methylphenyl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(p-tolylsulfanyl)butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylphenyl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(p-tolylthio)butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O3S2/c1-3-26-20(25)15-8-11-17-18(13-15)28-21(22-17)23-19(24)5-4-12-27-16-9-6-14(2)7-10-16/h6-11,13H,3-5,12H2,1-2H3,(H,22,23,24)