S-[[3-chloranyl-5-methoxy-6-oxidanylidene-1-(phenylmethyl)pyrazin-2-yl]methyl] ethanethioate

Systemtic Name: S-[[3-chloranyl-5-methoxy-6-oxidanylidene-1-(phenylmethyl)pyrazin-2-yl]methyl] ethanethioate Openeye Name: S-[(1-benzyl-3-chloro-5-methoxy-6-oxo-pyrazin-2-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-chloro-5-methoxy-6-oxo-1-(phenylmethyl)-2-pyrazinyl]methyl] ester IUPAC Name: S-[(1-benzyl-3-chloro-5-methoxy-6-oxopyrazin-2-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(1-benzyl-3-chloro-6-keto-5-methoxy-pyrazin-2-yl)methyl] ester Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=C(N=C(C(=O)N1CC2=CC=CC=C2)OC)Cl

Isomeric SMILES

CC(=O)SCC1=C(N=C(C(=O)N1CC2=CC=CC=C2)OC)Cl

InChI

InChI=1S/C15H15ClN2O3S/c1-10(19)22-9-12-13(16)17-14(21-2)15(20)18(12)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3