methyl 3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-4-methyl-benzoate CAS Name: 3-[[5-(1,3-benzothiazol-2-yl)-1-oxopentyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-4-methylbenzoate Traditional Name: 3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-4-methyl-benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-14-11-12-15(21(25)26-2)13-17(14)22-19(24)9-5-6-10-20-23-16-7-3-4-8-18(16)27-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,22,24)