pentyl 1-azanyl-9,10-bis(oxidanylidene)-4-(3-pentoxycarbonylphenyl)sulfanyl-anthracene-2-carboxylate

Systemtic Name: pentyl 1-azanyl-9,10-bis(oxidanylidene)-4-(3-pentoxycarbonylphenyl)sulfanyl-anthracene-2-carboxylate Openeye Name: pentyl 1-amino-9,10-dioxo-4-(3-pentoxycarbonylphenyl)sulfanyl-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-4-[[3-[oxo(pentoxy)methyl]phenyl]thio]-2-anthracenecarboxylic acid pentyl ester IUPAC Name: pentyl 1-amino-9,10-dioxo-4-(3-pentoxycarbonylphenyl)sulfanylanthracene-2-carboxylate Traditional Name: 1-amino-4-[(3-amoxycarbonylphenyl)thio]-9,10-diketo-anthracene-2-carboxylic acid amyl ester Formula: C32H33NO6S MolecularWeight: 559.67252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC(=CC=C1)SC2=C3C(=C(C(=C2)C(=O)OCCCCC)N)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCOC(=O)C1=CC(=CC=C1)SC2=C3C(=C(C(=C2)C(=O)OCCCCC)N)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C32H33NO6S/c1-3-5-9-16-38-31(36)20-12-11-13-21(18-20)40-25-19-24(32(37)39-17-10-6-4-2)28(33)27-26(25)29(34)22-14-7-8-15-23(22)30(27)35/h7-8,11-15,18-19H,3-6,9-10,16-17,33H2,1-2H3