1,3-benzothiazol-2-ylmethyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H12ClNO3S2 MolecularWeight: 365.85438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H12ClNO3S2/c17-14-7-6-13(22-14)11(19)5-8-16(20)21-9-15-18-10-3-1-2-4-12(10)23-15/h1-4,6-7H,5,8-9H2