ethyl 2-azanyl-4-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-1,5-benzoxazepine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-1,5-benzoxazepine-3-carboxylate Openeye Name: ethyl 2-amino-4-(3-oxo-3-phenyl-propyl)sulfanyl-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-4-[(3-oxo-3-phenylpropyl)thio]-1,5-benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(3-oxo-3-phenylpropyl)sulfanyl-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-4-[(3-keto-3-phenyl-propyl)thio]-1,5-benzoxazepine-3-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC=CC=C2N=C1SCCC(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC=CC=C2N=C1SCCC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C21H20N2O4S/c1-2-26-21(25)18-19(22)27-17-11-7-6-10-15(17)23-20(18)28-13-12-16(24)14-8-4-3-5-9-14/h3-11H,2,12-13,22H2,1H3