ethyl 2-azanyl-4-(2-cyano-3-ethoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl)sulfanyl-1,5-benzoxazepine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(2-cyano-3-ethoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl)sulfanyl-1,5-benzoxazepine-3-carboxylate Openeye Name: ethyl 2-amino-4-(2-cyano-3-ethoxy-1-methylsulfanyl-3-oxo-prop-1-enyl)sulfanyl-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-4-[[2-cyano-3-ethoxy-1-(methylthio)-3-oxoprop-1-enyl]thio]-1,5-benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(2-cyano-3-ethoxy-1-methylsulfanyl-3-oxoprop-1-enyl)sulfanyl-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-4-[[2-cyano-3-ethoxy-3-keto-1-(methylthio)prop-1-enyl]thio]-1,5-benzoxazepine-3-carboxylic acid ethyl ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S2/c1-4-25-17(23)11(10-20)19(28-3)29-16-14(18(24)26-5-2)15(21)27-13-9-7-6-8-12(13)22-16/h6-9H,4-5,21H2,1-3H3