ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)N3CC(OC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)N3CC(OC4=CC=CC=C43)C

InChI

InChI=1S/C21H24N2O4S/c1-3-26-20(24)18-14-8-4-7-11-17(14)28-19(18)22-21(25)23-12-13(2)27-16-10-6-5-9-15(16)23/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,22,25)