methyl 2-azanyl-7-chloranyl-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate

Systemtic Name: methyl 2-azanyl-7-chloranyl-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate Openeye Name: methyl 2-amino-7-chloro-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-7-chloro-4-(methylthio)-1,5-benzoxazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-7-chloro-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-7-chloro-4-(methylthio)-1,5-benzoxazepine-3-carboxylic acid methyl ester Formula: C12H11ClN2O3S MolecularWeight: 298.74534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C=C(C=C2)Cl)N=C1SC)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C=C(C=C2)Cl)N=C1SC)N

InChI

InChI=1S/C12H11ClN2O3S/c1-17-12(16)9-10(14)18-8-4-3-6(13)5-7(8)15-11(9)19-2/h3-5H,14H2,1-2H3