ethyl 2-azanyl-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate Openeye Name: ethyl 2-amino-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-4-(methylthio)-1,5-benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-4-(methylthio)-1,5-benzoxazepine-3-carboxylic acid ethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC=CC=C2N=C1SC)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC=CC=C2N=C1SC)N

InChI

InChI=1S/C13H14N2O3S/c1-3-17-13(16)10-11(14)18-9-7-5-4-6-8(9)15-12(10)19-2/h4-7H,3,14H2,1-2H3