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

Systemtic Name: ethyl 5-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-(1,3-benzothiazol-2-yl)propylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-(1,3-benzothiazol-2-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H23N3O3S/c1-4-26-20(25)17-12(2)18(22-13(17)3)19(24)21-11-7-10-16-23-14-8-5-6-9-15(14)27-16/h5-6,8-9,22H,4,7,10-11H2,1-3H3,(H,21,24)