1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H26N2O6S2/c1-28-17-11-14(12-18(29-2)21(17)30-3)22(26)25-16(9-10-32-4)23(27)31-13-20-24-15-7-5-6-8-19(15)33-20/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,25,26)