propan-2-yl 5-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 5-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[1-(1,3-benzothiazol-2-yl)ethyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[1-(1,3-benzothiazol-2-yl)ethyl-methyl-carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N(C)C(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N(C)C(C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3O3S/c1-11(2)27-21(26)17-12(3)18(22-13(17)4)20(25)24(6)14(5)19-23-15-9-7-8-10-16(15)28-19/h7-11,14,22H,1-6H3