S-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(oxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(oxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(tetrahydrofuran-2-ylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-oxolanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(oxolan-2-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(5,6-dimethyl-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:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3CCCO3)C(=O)CSC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3CCCO3)C(=O)CSC(=O)C

InChI

InChI=1S/C18H22N2O3S2/c1-11-7-15-16(8-12(11)2)25-18(19-15)20(9-14-5-4-6-23-14)17(22)10-24-13(3)21/h7-8,14H,4-6,9-10H2,1-3H3