methyl 3-[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)CC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCN1CC(OC2=CC=CC=C21)CN(C)CC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-4-23-12-14(27-17-8-6-5-7-16(17)23)11-22(2)13-18(24)21-15-9-10-28-19(15)20(25)26-3/h5-10,14H,4,11-13H2,1-3H3,(H,21,24)