S-[[4-[[(E)-3-azanyl-3-ethoxy-prop-2-enoyl]sulfanylmethyl]phenyl]methyl] (E)-3-azanyl-3-ethoxy-prop-2-enethioate

Systemtic Name: S-[[4-[[(E)-3-azanyl-3-ethoxy-prop-2-enoyl]sulfanylmethyl]phenyl]methyl] (E)-3-azanyl-3-ethoxy-prop-2-enethioate Openeye Name: S-[[4-[[(E)-3-amino-3-ethoxy-prop-2-enoyl]sulfanylmethyl]phenyl]methyl] (E)-3-amino-3-ethoxy-prop-2-enethioate CAS Name: (E)-3-amino-3-ethoxy-2-propenethioic acid S-[[4-[[[(E)-3-amino-3-ethoxy-1-oxoprop-2-enyl]thio]methyl]phenyl]methyl] ester IUPAC Name: S-[[4-[[(E)-3-amino-3-ethoxyprop-2-enoyl]sulfanylmethyl]phenyl]methyl] (E)-3-amino-3-ethoxyprop-2-enethioate Traditional Name: (E)-3-amino-3-ethoxy-prop-2-enethioic acid S-[4-[[[(E)-3-amino-3-ethoxy-acryloyl]thio]methyl]benzyl] ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)SCC1=CC=C(C=C1)CSC(=O)C=C(N)OCC)N

Isomeric SMILES

CCO/C(=C/C(=O)SCC1=CC=C(C=C1)CSC(=O)/C=C(/OCC)\N)/N

InChI

InChI=1S/C18H24N2O4S2/c1-3-23-15(19)9-17(21)25-11-13-5-7-14(8-6-13)12-26-18(22)10-16(20)24-4-2/h5-10H,3-4,11-12,19-20H2,1-2H3/b15-9+,16-10+