[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C24H17NO4S MolecularWeight: 415.46108

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

Isomeric SMILES

C#CCNC(=O)COC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H17NO4S/c1-2-12-25-21(26)13-29-22(27)14-30-20-11-10-16-15-6-3-4-7-17(15)24(28)19-9-5-8-18(20)23(16)19/h1,3-11H,12-14H2,(H,25,26)