[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [4-[[(2,5-dimethyl-1-pyrrolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OC(=O)CCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OC(=O)CCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H21N3O3S/c1-15-7-8-16(2)26(15)25-23(28)17-9-11-18(12-10-17)29-22(27)14-13-21-24-19-5-3-4-6-20(19)30-21/h3-12H,13-14H2,1-2H3,(H,25,28)