2-(2-azanyl-3-phenylmethoxycarbonyl-5H-1,4-thiazepin-4-yl)ethanoic acid

Systemtic Name: 2-(2-azanyl-3-phenylmethoxycarbonyl-5H-1,4-thiazepin-4-yl)ethanoic acid Openeye Name: 2-(2-amino-3-benzyloxycarbonyl-5H-1,4-thiazepin-4-yl)acetic acid CAS Name: 2-(2-amino-3-phenylmethoxycarbonyl-5H-1,4-thiazepin-4-yl)acetic acid IUPAC Name: 2-(2-amino-3-phenylmethoxycarbonyl-5H-1,4-thiazepin-4-yl)acetic acid Traditional Name: 2-(2-amino-3-carbobenzoxy-5H-1,4-thiazepin-4-yl)acetic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CSC(=C(N1CC(=O)O)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C1C=CSC(=C(N1CC(=O)O)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C15H16N2O4S/c16-14-13(17(9-12(18)19)7-4-8-22-14)15(20)21-10-11-5-2-1-3-6-11/h1-6,8H,7,9-10,16H2,(H,18,19)