2-[[6-[(2-benzamido-2-methyl-3-oxidanyl-propanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(2-benzamido-2-methyl-3-oxidanyl-propanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(2-benzamido-3-hydroxy-2-methyl-propanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[(2-benzamido-3-hydroxy-2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(2-benzamido-3-hydroxy-2-methylpropanoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(2-benzamido-3-hydroxy-2-methyl-propanoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)(CO)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)(CO)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5S2/c1-14(27)30-10-11-31-21-24-17-9-8-16(12-18(17)32-21)23-20(29)22(2,13-26)25-19(28)15-6-4-3-5-7-15/h3-9,12,26H,10-11,13H2,1-2H3,(H,23,29)(H,25,28)