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

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)sulfanylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O3S2/c1-2-24-17(23)11-3-8-14-15(9-11)26-18(20-14)21-16(22)10-25-13-6-4-12(19)5-7-13/h3-9H,2,10H2,1H3,(H,20,21,22)