N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-keto-ethyl]-5-keto-pyrrolidine-2-carboxamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CNC(=O)C3CCC(=O)N3

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CNC(=O)C3CCC(=O)N3

InChI

InChI=1S/C21H24N4O3S2/c1-2-3-4-5-6-11-29-21-25-15-8-7-14(12-17(15)30-21)23-19(27)13-22-20(28)16-9-10-18(26)24-16/h7-8,12,16H,2-3,6,9-11,13H2,1H3,(H,22,28)(H,23,27)(H,24,26)