(2-phenyl-1,3-thiazol-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C18H14ClNO3S2 MolecularWeight: 391.89166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H14ClNO3S2/c19-16-8-7-15(25-16)14(21)6-9-17(22)23-10-13-11-24-18(20-13)12-4-2-1-3-5-12/h1-5,7-8,11H,6,9-10H2