2-[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(1S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[(1S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H19N4O3S2- MolecularWeight: 403.49846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC(=CC(=N3)[O-])C

Isomeric SMILES

CC[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)SC3=NC(=CC(=N3)[O-])C

InChI

InChI=1S/C18H20N4O3S2/c1-4-13(26-17-19-10(3)8-15(23)21-17)16(24)22-18-20-12-7-6-11(25-5-2)9-14(12)27-18/h6-9,13H,4-5H2,1-3H3,(H,19,21,23)(H,20,22,24)/p-1/t13-/m0/s1