ethyl 4-(1,3-benzothiazol-2-yl)-2-chloranyl-benzoate

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-yl)-2-chloranyl-benzoate Openeye Name: ethyl 4-(1,3-benzothiazol-2-yl)-2-chloro-benzoate CAS Name: 4-(1,3-benzothiazol-2-yl)-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-yl)-2-chlorobenzoate Traditional Name: 4-(1,3-benzothiazol-2-yl)-2-chloro-benzoic acid ethyl ester Formula: C16H12ClNO2S MolecularWeight: 317.78998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H12ClNO2S/c1-2-20-16(19)11-8-7-10(9-12(11)17)15-18-13-5-3-4-6-14(13)21-15/h3-9H,2H2,1H3