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

Systemtic Name: S-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-furylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CSC(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CSC(=O)C

InChI

InChI=1S/C18H18N2O3S2/c1-3-13-6-7-15-16(9-13)25-18(19-15)20(10-14-5-4-8-23-14)17(22)11-24-12(2)21/h4-9H,3,10-11H2,1-2H3