4-[(4S,5R)-5-[(2-chlorophenyl)carbamoyl]-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(4S,5R)-5-[(2-chlorophenyl)carbamoyl]-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(4S,5R)-5-[(2-chlorophenyl)carbamoyl]-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(4S,5R)-5-[(2-chloroanilino)-oxomethyl]-6-methylene-2-sulfanylidene-1,3-diazinan-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4S,5R)-5-[(2-chlorophenyl)carbamoyl]-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4S,5R)-5-[(2-chlorophenyl)carbamoyl]-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C20H18ClN4O5S- MolecularWeight: 461.89872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN4O5S/c1-3-30-15-9-11(8-14(18(15)26)25(28)29)17-16(10(2)22-20(31)24-17)19(27)23-13-7-5-4-6-12(13)21/h4-9,16-17,26H,2-3H2,1H3,(H,23,27)(H2,22,24,31)/p-1/t16-,17+/m0/s1