methyl 3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]butanoate Openeye Name: methyl 3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]butanoate CAS Name: 3-methyl-2-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]butanoate Traditional Name: 3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]butyric acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C18H19N3O3S/c1-11(2)15(17(23)24-3)20-16(22)12-6-7-13-14(10-12)25-18(19-13)21-8-4-5-9-21/h4-11,15H,1-3H3,(H,20,22)