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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15NO3S2 MolecularWeight: 345.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO3S2/c1-11-6-8-15(22-11)13(19)7-9-17(20)21-10-16-18-12-4-2-3-5-14(12)23-16/h2-6,8H,7,9-10H2,1H3