S-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[benzyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[benzyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[benzyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CSC(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CSC(=O)C

InChI

InChI=1S/C20H20N2O3S2/c1-3-25-16-9-10-17-18(11-16)27-20(21-17)22(19(24)13-26-14(2)23)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3