methyl 4-[(4-propan-2-yl-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-propan-2-yl-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-isopropyl-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[oxo-[(4-propan-2-yl-1,3-benzothiazol-2-yl)-(2-pyridinylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-propan-2-yl-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(4-isopropyl-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H23N3O3S/c1-16(2)20-8-6-9-21-22(20)27-25(32-21)28(15-19-7-4-5-14-26-19)23(29)17-10-12-18(13-11-17)24(30)31-3/h4-14,16H,15H2,1-3H3