S-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl] ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CSC(=O)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CSC(=O)C

InChI

InChI=1S/C17H21N3O3S2/c1-3-23-13-5-4-6-14-16(13)18-17(25-14)20-9-7-19(8-10-20)15(22)11-24-12(2)21/h4-6H,3,7-11H2,1-2H3