methyl 2-[5-(pyrrolidin-2-ylcarbonylamino)pentanoyl]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[5-(pyrrolidin-2-ylcarbonylamino)pentanoyl]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[5-(pyrrolidine-2-carbonylamino)pentanoyl]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-5-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[5-(pyrrolidine-2-carbonylamino)pentanoyl]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[5-(prolylamino)pentanoyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)C(=O)CCCCNC(=O)C3CCCN3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)C(=O)CCCCNC(=O)C3CCCN3

InChI

InChI=1S/C19H23N3O4S/c1-26-19(25)12-7-8-13-16(11-12)27-18(22-13)15(23)6-2-3-9-21-17(24)14-5-4-10-20-14/h7-8,11,14,20H,2-6,9-10H2,1H3,(H,21,24)