3-(3,4-dichlorophenyl)sulfanyloxycarbonyl-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid; 3-propan-2-yl-1,1-bis(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 3-(3,4-dichlorophenyl)sulfanyloxycarbonyl-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid; 3-propan-2-yl-1,1-bis(2-pyrrolidin-1-ylethyl)urea Openeye Name: 3-(3,4-dichlorophenyl)sulfanyloxycarbonyl-5-ethoxy-3-hydroxy-5-oxo-pentanoic acid; 3-isopropyl-1,1-bis(2-pyrrolidin-1-ylethyl)urea CAS Name: 3-[[(3,4-dichlorophenyl)thio]oxy-oxomethyl]-5-ethoxy-3-hydroxy-5-oxopentanoic acid; 3-propan-2-yl-1,1-bis[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 3-(3,4-dichlorophenyl)sulfanyloxycarbonyl-5-ethoxy-3-hydroxy-5-oxopentanoic acid; 3-propan-2-yl-1,1-bis(2-pyrrolidin-1-ylethyl)urea Traditional Name: 3-[(3,4-dichlorophenyl)thio]oxycarbonyl-5-ethoxy-3-hydroxy-5-keto-valeric acid; 3-isopropyl-1,1-bis(2-pyrrolidinoethyl)urea Formula: C30H46Cl2N4O8S MolecularWeight: 693.67924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)O)(C(=O)OSC1=CC(=C(C=C1)Cl)Cl)O.CC(C)NC(=O)N(CCN1CCCC1)CCN2CCCC2

Isomeric SMILES

CCOC(=O)CC(CC(=O)O)(C(=O)OSC1=CC(=C(C=C1)Cl)Cl)O.CC(C)NC(=O)N(CCN1CCCC1)CCN2CCCC2

InChI

InChI=1S/C16H32N4O.C14H14Cl2O7S/c1-15(2)17-16(21)20(13-11-18-7-3-4-8-18)14-12-19-9-5-6-10-19;1-2-22-12(19)7-14(21,6-11(17)18)13(20)23-24-8-3-4-9(15)10(16)5-8/h15H,3-14H2,1-2H3,(H,17,21);3-5,21H,2,6-7H2,1H3,(H,17,18)