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

Systemtic Name: 2-[2-[[(6S)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[[(6S)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[[(6S)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[[(6S)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[[(6S)-3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C18H20N3O4S2- MolecularWeight: 406.4991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-3-25-17(24)15-11-5-4-10(2)8-12(11)27-16(15)20-14(23)9-26-18-19-7-6-13(22)21-18/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,23)(H,19,21,22)/p-1/t10-/m0/s1