methyl 3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-[2-(2-chlorophenyl)thiazol-4-yl]acetyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[2-[2-(2-chlorophenyl)-4-thiazolyl]-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-[2-(2-chlorophenyl)thiazol-4-yl]acetyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CC3=CSC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CC3=CSC(=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H22ClN3O3S/c1-30-23(29)15-8-9-20(27-10-4-5-11-27)19(12-15)26-21(28)13-16-14-31-22(25-16)17-6-2-3-7-18(17)24/h2-3,6-9,12,14H,4-5,10-11,13H2,1H3,(H,26,28)