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

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H19ClN2O3S2 MolecularWeight: 434.95946

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3S2/c1-2-26-19(25)13-5-10-16-17(12-13)28-20(22-16)23-18(24)4-3-11-27-15-8-6-14(21)7-9-15/h5-10,12H,2-4,11H2,1H3,(H,22,23,24)