ethyl 2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate CAS Name: 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Traditional Name: 2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)N=CC3C(=O)NC(=S)NC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)N=CC3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C22H29N3O4S2/c1-2-29-21(28)17-14-11-9-7-5-3-4-6-8-10-12-16(14)31-20(17)23-13-15-18(26)24-22(30)25-19(15)27/h13,15H,2-12H2,1H3,(H2,24,25,26,27,30)