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

Systemtic Name: methyl 2-azanyl-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate Openeye Name: methyl 2-amino-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-4-(methylthio)-1,5-benzoxazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-methylsulfanyl-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-4-(methylthio)-1,5-benzoxazepine-3-carboxylic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c1-16-12(15)9-10(13)17-8-6-4-3-5-7(8)14-11(9)18-2/h3-6H,13H2,1-2H3