2-azanyl-2-[(E)-2-(5-chloranylthiophen-2-yl)ethenyl]sulfonyl-2-[2-oxidanylidene-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-azanyl-2-[(E)-2-(5-chloranylthiophen-2-yl)ethenyl]sulfonyl-2-[2-oxidanylidene-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-amino-2-[(E)-2-(5-chloro-2-thienyl)vinyl]sulfonyl-2-[2-oxo-1-[2-(4-pyridylamino)ethyl]pyrrolidin-3-yl]acetic acid CAS Name: 2-amino-2-[(E)-2-(5-chloro-2-thiophenyl)ethenyl]sulfonyl-2-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-amino-2-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-2-[2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]acetic acid Traditional Name: 2-amino-2-[(E)-2-(5-chloro-2-thienyl)vinyl]sulfonyl-2-[2-keto-1-[2-(4-pyridylamino)ethyl]pyrrolidin-3-yl]acetic acid Formula: C19H21ClN4O5S2 MolecularWeight: 484.97684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1C(C(=O)O)(N)S(=O)(=O)C=CC2=CC=C(S2)Cl)CCNC3=CC=NC=C3

Isomeric SMILES

C1CN(C(=O)C1C(C(=O)O)(N)S(=O)(=O)/C=C/C2=CC=C(S2)Cl)CCNC3=CC=NC=C3

InChI

InChI=1S/C19H21ClN4O5S2/c20-16-2-1-14(30-16)6-12-31(28,29)19(21,18(26)27)15-5-10-24(17(15)25)11-9-23-13-3-7-22-8-4-13/h1-4,6-8,12,15H,5,9-11,21H2,(H,22,23)(H,26,27)/b12-6+