ethyl 2-azanyl-5-methyl-4-sulfanylidene-1,5-benzoxazepine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-methyl-4-sulfanylidene-1,5-benzoxazepine-3-carboxylate Openeye Name: ethyl 2-amino-5-methyl-4-thioxo-1,5-benzoxazepine-3-carboxylate CAS Name: 2-amino-5-methyl-4-sulfanylidene-1,5-benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-methyl-4-sulfanylidene-1,5-benzoxazepine-3-carboxylate Traditional Name: 2-amino-5-methyl-4-thioxo-1,5-benzoxazepine-3-carboxylic acid ethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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