methyl 2-phenethyl-6,7,9-triphenyl-4-phenylimino-3-thia-6,8,9-triazaspiro[4.4]nona-1,7-diene-1-carboxylate

Systemtic Name: methyl 2-phenethyl-6,7,9-triphenyl-4-phenylimino-3-thia-6,8,9-triazaspiro[4.4]nona-1,7-diene-1-carboxylate Openeye Name: methyl 2-phenethyl-6,7,9-triphenyl-4-phenylimino-3-thia-6,8,9-triazaspiro[4.4]nona-1,7-diene-1-carboxylate CAS Name: 2-phenethyl-6,7,9-triphenyl-4-phenylimino-3-thia-6,8,9-triazaspiro[4.4]nona-1,7-diene-1-carboxylic acid methyl ester IUPAC Name: methyl 2-phenethyl-6,7,9-triphenyl-4-phenylimino-3-thia-6,8,9-triazaspiro[4.4]nona-1,7-diene-1-carboxylate Traditional Name: 2-phenethyl-6,7,9-triphenyl-4-phenylimino-3-thia-6,8,9-triazaspiro[4.4]nona-1,7-diene-1-carboxylic acid methyl ester Formula: C39H32N4O2S MolecularWeight: 620.76198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=NC2=CC=CC=C2)C13N(C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)CCC7=CC=CC=C7

Isomeric SMILES

COC(=O)C1=C(SC(=NC2=CC=CC=C2)C13N(C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)CCC7=CC=CC=C7

InChI

InChI=1S/C39H32N4O2S/c1-45-37(44)35-34(28-27-29-17-7-2-8-18-29)46-38(40-31-21-11-4-12-22-31)39(35)42(32-23-13-5-14-24-32)36(30-19-9-3-10-20-30)41-43(39)33-25-15-6-16-26-33/h2-26H,27-28H2,1H3