[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C#N

InChI

InChI=1S/C25H20N2O4S/c26-13-18-15-7-3-6-12-21(15)32-24(18)27-22(28)14-30-25(29)23-16-8-1-4-10-19(16)31-20-11-5-2-9-17(20)23/h1-2,4-5,8-11,23H,3,6-7,12,14H2,(H,27,28)