2-methylpropyl 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: 2-methylpropyl 4-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: isobutyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid isobutyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c1-13(2)12-28-22(27)14-7-9-15(10-8-14)25-11-17(26)19(20(25)23)21-24-16-5-3-4-6-18(16)29-21/h3-10,13H,11-12,23H2,1-2H3