3-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]sulfanylcarbamoylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]sulfanylcarbamoylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]sulfanylcarbamoylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[[[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]thio]amino]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]sulfanylcarbamoylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]thio]carbamoylamino]-5-phenyl-2-thenoic acid Formula: C25H27N3O5S2 MolecularWeight: 513.62898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SNC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)OCCN4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)SNC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)OCCN4CCCC4

InChI

InChI=1S/C25H27N3O5S2/c1-32-21-15-18(9-10-20(21)33-14-13-28-11-5-6-12-28)35-27-25(31)26-19-16-22(34-23(19)24(29)30)17-7-3-2-4-8-17/h2-4,7-10,15-16H,5-6,11-14H2,1H3,(H,29,30)(H2,26,27,31)