methyl 2-azanyl-4-[(E)-2-cyano-3-ethoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]sulfanyl-1,5-benzoxazepine-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[(E)-2-cyano-3-ethoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]sulfanyl-1,5-benzoxazepine-3-carboxylate Openeye Name: methyl 2-amino-4-[(E)-2-cyano-3-ethoxy-1-methylsulfanyl-3-oxo-prop-1-enyl]sulfanyl-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-4-[[(E)-2-cyano-3-ethoxy-1-(methylthio)-3-oxoprop-1-enyl]thio]-1,5-benzoxazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[(E)-2-cyano-3-ethoxy-1-methylsulfanyl-3-oxoprop-1-enyl]sulfanyl-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-4-[[(E)-2-cyano-3-ethoxy-3-keto-1-(methylthio)prop-1-enyl]thio]-1,5-benzoxazepine-3-carboxylic acid methyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SC)SC1=NC2=CC=CC=C2OC(=C1C(=O)OC)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\SC)/SC1=NC2=CC=CC=C2OC(=C1C(=O)OC)N)/C#N

InChI

InChI=1S/C18H17N3O5S2/c1-4-25-16(22)10(9-19)18(27-3)28-15-13(17(23)24-2)14(20)26-12-8-6-5-7-11(12)21-15/h5-8H,4,20H2,1-3H3/b18-10+