methyl 3-[4-(5-ethanoylthiophen-3-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[4-(5-ethanoylthiophen-3-yl)carbonyl-6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(5-acetylthiophene-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(5-acetyl-3-thiophenyl)-oxomethyl]-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-acetylthiophene-3-carbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(5-acetylthiophene-3-carbonyl)-2-keto-6-m-anisyloxy-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N2CC(CN(C(=O)C2)CCC(=O)OC)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H28N2O7S/c1-16(27)21-10-18(15-34-21)24(30)26-12-20(33-14-17-5-4-6-19(9-17)31-2)11-25(22(28)13-26)8-7-23(29)32-3/h4-6,9-10,15,20H,7-8,11-14H2,1-3H3