methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbonyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazinyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[4-[(2-methylthiazol-4-yl)methyl]piperazine-1-carbonyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H29N5O3S MolecularWeight: 443.56236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

InChI

InChI=1S/C22H29N5O3S/c1-16-23-18(15-31-16)14-25-9-11-27(12-10-25)22(29)24-19-13-17(21(28)30-2)5-6-20(19)26-7-3-4-8-26/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,24,29)