2-[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[[(6R)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[[(6R)-3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C22H22N3O4S2- MolecularWeight: 456.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C22H23N3O4S2/c1-3-29-21(28)18-14-9-8-12(2)10-16(14)31-20(18)24-17(26)11-30-22-23-15-7-5-4-6-13(15)19(27)25-22/h4-7,12H,3,8-11H2,1-2H3,(H,24,26)(H,23,25,27)/p-1/t12-/m1/s1