2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate

Systemtic Name: 2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Openeye Name: 2-[(4-methylthiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate CAS Name: 2-[(4-methyl-5-thiazolyl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate IUPAC Name: 2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Traditional Name: 2-[(4-methylthiazol-5-yl)methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate Formula: C16H15N2O2S- MolecularWeight: 299.3675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CC2CC(=CC3=CC=CC=C3N2)C(=O)[O-]

Isomeric SMILES

CC1=C(SC=N1)CC2CC(=CC3=CC=CC=C3N2)C(=O)[O-]

InChI

InChI=1S/C16H16N2O2S/c1-10-15(21-9-17-10)8-13-7-12(16(19)20)6-11-4-2-3-5-14(11)18-13/h2-6,9,13,18H,7-8H2,1H3,(H,19,20)/p-1