methyl 2-[2-[2-(phenylmethylsulfanyl)ethanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(phenylmethylsulfanyl)ethanoylimino]-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-benzylsulfanylacetyl)imino-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-oxo-2-(phenylmethylthio)ethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzylsulfanylacetyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(benzylthio)acetyl]imino-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C22H24N2O3S2/c1-15(2)17-9-10-18-19(11-17)29-22(24(18)12-21(26)27-3)23-20(25)14-28-13-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3