methyl 2-diethoxyphosphoryl-3-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enoate

Systemtic Name: methyl 2-diethoxyphosphoryl-3-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enoate Openeye Name: methyl 2-diethoxyphosphoryl-3-(5-methyl-2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate CAS Name: 2-diethoxyphosphoryl-3-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)-2-propenoic acid methyl ester IUPAC Name: methyl 2-diethoxyphosphoryl-3-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enoate Traditional Name: 2-diethoxyphosphoryl-3-(5-methyl-2-thioxo-3H-benzimidazol-1-yl)acrylic acid methyl ester Formula: C16H21N2O5PS MolecularWeight: 384.387101

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CN1C2=C(C=C(C=C2)C)NC1=S)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C(=CN1C2=C(C=C(C=C2)C)NC1=S)C(=O)OC)OCC

InChI

InChI=1S/C16H21N2O5PS/c1-5-22-24(20,23-6-2)14(15(19)21-4)10-18-13-8-7-11(3)9-12(13)17-16(18)25/h7-10H,5-6H2,1-4H3,(H,17,25)