methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]carbonyl]benzoate

Systemtic Name: methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]carbonyl]benzoate Openeye Name: methyl 3-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]benzoate CAS Name: 3-[[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]benzoate Traditional Name: 3-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]benzoic acid methyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O3S/c1-14-20-17(13-26-14)12-21-7-4-8-22(10-9-21)18(23)15-5-3-6-16(11-15)19(24)25-2/h3,5-6,11,13H,4,7-10,12H2,1-2H3