[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C28H19NO6S MolecularWeight: 497.51856

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=C4C=CC=C5C4=C(C=C3)C6=CC=CC=C6C5=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=C4C=CC=C5C4=C(C=C3)C6=CC=CC=C6C5=O

InChI

InChI=1S/C28H19NO6S/c30-25(29-16-8-10-22-23(12-16)35-15-34-22)13-33-26(31)14-36-24-11-9-18-17-4-1-2-5-19(17)28(32)21-7-3-6-20(24)27(18)21/h1-12H,13-15H2,(H,29,30)