[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C18H17NO3S2 MolecularWeight: 359.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

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