N-[5-chloranyl-2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-chloranyl-2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[5-chloro-2-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[5-chloro-2-[[[(2S)-2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-chloro-2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[5-chloro-2-[[(2S)-2-(2-furyl)-2-pyrrolidino-ethyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

C1CCN(C1)[C@@H](CNC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C22H22ClN3O3S/c23-15-7-8-16(17(13-15)25-22(28)20-6-4-12-30-20)21(27)24-14-18(19-5-3-11-29-19)26-9-1-2-10-26/h3-8,11-13,18H,1-2,9-10,14H2,(H,24,27)(H,25,28)/t18-/m0/s1