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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3S2/c1-11-9-13(12(2)23-11)15(20)7-8-18(21)22-10-17-19-14-5-3-4-6-16(14)24-17/h3-6,9H,7-8,10H2,1-2H3