6-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid

Systemtic Name: 6-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid Openeye Name: 6-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 6-[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: 6-[2-(4-butoxycarbonylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 6-[2-(4-butoxycarbonylanilino)-2-keto-ethyl]-5-keto-thiomorpholine-3-carboxylic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC(CS2)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC(CS2)C(=O)O

InChI

InChI=1S/C18H22N2O6S/c1-2-3-8-26-18(25)11-4-6-12(7-5-11)19-15(21)9-14-16(22)20-13(10-27-14)17(23)24/h4-7,13-14H,2-3,8-10H2,1H3,(H,19,21)(H,20,22)(H,23,24)