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

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C17H15NO3S2 MolecularWeight: 345.4359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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