2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-sulfanylidene-4-(9H-xanthen-9-ylamino)butanoic acid

Systemtic Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-sulfanylidene-4-(9H-xanthen-9-ylamino)butanoic acid Openeye Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thioxo-4-(9H-xanthen-9-ylamino)butanoic acid CAS Name: 2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-sulfanylidene-4-(9H-xanthen-9-ylamino)butanoic acid IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-sulfanylidene-4-(9H-xanthen-9-ylamino)butanoic acid Traditional Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thioxo-4-(9H-xanthen-9-ylamino)butyric acid Formula: C32H26N2O5S MolecularWeight: 550.62424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=S)NC4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=S)NC4C5=CC=CC=C5OC6=CC=CC=C46)C(=O)O

InChI

InChI=1S/C32H26N2O5S/c35-31(36)26(17-29(40)34-30-23-13-5-7-15-27(23)39-28-16-8-6-14-24(28)30)33-32(37)38-18-25-21-11-3-1-9-19(21)20-10-2-4-12-22(20)25/h1-16,25-26,30H,17-18H2,(H,33,37)(H,34,40)(H,35,36)