methyl 2-formamido-2-methyl-3-(2-sulfanylidenebenzimidazol-5-yl)propanoate

Systemtic Name: methyl 2-formamido-2-methyl-3-(2-sulfanylidenebenzimidazol-5-yl)propanoate Openeye Name: methyl 2-formamido-2-methyl-3-(2-thioxobenzimidazol-5-yl)propanoate CAS Name: 2-formamido-2-methyl-3-(2-sulfanylidene-5-benzimidazolyl)propanoic acid methyl ester IUPAC Name: methyl 2-formamido-2-methyl-3-(2-sulfanylidenebenzimidazol-5-yl)propanoate Traditional Name: 2-formamido-2-methyl-3-(2-thioxobenzimidazol-5-yl)propionic acid methyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=NC(=S)N=C2C=C1)(C(=O)OC)NC=O

Isomeric SMILES

CC(CC1=CC2=NC(=S)N=C2C=C1)(C(=O)OC)NC=O

InChI

InChI=1S/C13H13N3O3S/c1-13(14-7-17,11(18)19-2)6-8-3-4-9-10(5-8)16-12(20)15-9/h3-5,7H,6H2,1-2H3,(H,14,17)