methyl (6R)-6-[[(2R)-2-bromanyl-3-phenyl-propanoyl]amino]-2-methyl-5-oxidanylidene-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate

Systemtic Name: methyl (6R)-6-[[(2R)-2-bromanyl-3-phenyl-propanoyl]amino]-2-methyl-5-oxidanylidene-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate Openeye Name: methyl (6R)-6-[[(2R)-2-bromo-3-phenyl-propanoyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate CAS Name: (6R)-6-[[(2R)-2-bromo-1-oxo-3-phenylpropyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[[(2R)-2-bromo-3-phenylpropanoyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate Traditional Name: (6R)-6-[[(2R)-2-bromo-3-phenyl-propanoyl]amino]-5-keto-2-methyl-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid methyl ester Formula: C17H19BrN2O4S MolecularWeight: 427.31276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(CS1)NC(=O)C(CC2=CC=CC=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(NC(=O)[C@H](CS1)NC(=O)[C@@H](CC2=CC=CC=C2)Br)C(=O)OC

InChI

InChI=1S/C17H19BrN2O4S/c1-10-14(17(23)24-2)20-16(22)13(9-25-10)19-15(21)12(18)8-11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1