5-(1,3-benzodioxol-5-yl)-4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclopropylcarbonyl-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclopropylcarbonyl-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclopropyl(oxo)methyl]-3-(3-methoxyphenyl)-2-pyrrolidinecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide Formula: C28H25ClN2O6S MolecularWeight: 553.0259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)N)C(=O)C3CC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(S6)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)N)C(=O)C3CC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(S6)Cl

InChI

InChI=1S/C28H25ClN2O6S/c1-35-17-4-2-3-15(11-17)22-23(26(32)20-9-10-21(29)38-20)24(16-7-8-18-19(12-16)37-13-36-18)31(25(22)27(30)33)28(34)14-5-6-14/h2-4,7-12,14,22-25H,5-6,13H2,1H3,(H2,30,33)