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

Systemtic Name: methyl 4-[oxolan-2-ylmethyl-(4-propan-2-yl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-isopropyl-1,3-benzothiazol-2-yl)-(tetrahydrofuran-2-ylmethyl)carbamoyl]benzoate CAS Name: 4-[oxo-[2-oxolanylmethyl-(4-propan-2-yl-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[oxolan-2-ylmethyl-(4-propan-2-yl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(4-isopropyl-1,3-benzothiazol-2-yl)-(tetrahydrofurfuryl)carbamoyl]benzoic acid methyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3CCCO3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H26N2O4S/c1-15(2)19-7-4-8-20-21(19)25-24(31-20)26(14-18-6-5-13-30-18)22(27)16-9-11-17(12-10-16)23(28)29-3/h4,7-12,15,18H,5-6,13-14H2,1-3H3