methyl 2-[[6-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-formamido-4-methylsulfanylbutanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[[2-formamido-4-(methylthio)butanoyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C16H19N3O4S3 MolecularWeight: 413.53476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CCSC)NC=O

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CCSC)NC=O

InChI

InChI=1S/C16H19N3O4S3/c1-23-14(21)8-25-16-19-11-4-3-10(7-13(11)26-16)18-15(22)12(17-9-20)5-6-24-2/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,17,20)(H,18,22)