methyl (E)-3-phenylazanyl-3-sulfanyl-2-(1,3-thiazol-2-ylcarbamoyl)prop-2-enoate

Systemtic Name: methyl (E)-3-phenylazanyl-3-sulfanyl-2-(1,3-thiazol-2-ylcarbamoyl)prop-2-enoate Openeye Name: methyl (E)-3-anilino-3-sulfanyl-2-(thiazol-2-ylcarbamoyl)prop-2-enoate CAS Name: (E)-3-anilino-3-mercapto-2-[oxo-(2-thiazolylamino)methyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-anilino-3-sulfanyl-2-(1,3-thiazol-2-ylcarbamoyl)prop-2-enoate Traditional Name: (E)-3-anilino-3-mercapto-2-(thiazol-2-ylcarbamoyl)acrylic acid methyl ester Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC1=CC=CC=C1)S)C(=O)NC2=NC=CS2

Isomeric SMILES

COC(=O)/C(=C(\NC1=CC=CC=C1)/S)/C(=O)NC2=NC=CS2

InChI

InChI=1S/C14H13N3O3S2/c1-20-13(19)10(11(18)17-14-15-7-8-22-14)12(21)16-9-5-3-2-4-6-9/h2-8,16,21H,1H3,(H,15,17,18)/b12-10+