S-[2-[(4-ethyl-1,3-benzothiazol-2-yl)-(oxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(4-ethyl-1,3-benzothiazol-2-yl)-(oxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(4-ethyl-1,3-benzothiazol-2-yl)-(tetrahydrofuran-2-ylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-ethyl-1,3-benzothiazol-2-yl)-(2-oxolanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(4-ethyl-1,3-benzothiazol-2-yl)-(oxolan-2-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-ethyl-1,3-benzothiazol-2-yl)-(tetrahydrofurfuryl)amino]-2-keto-ethyl] ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)CSC(=O)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)CSC(=O)C

InChI

InChI=1S/C18H22N2O3S2/c1-3-13-6-4-8-15-17(13)19-18(25-15)20(10-14-7-5-9-23-14)16(22)11-24-12(2)21/h4,6,8,14H,3,5,7,9-11H2,1-2H3