methyl 5-(methoxycarbonylamino)-1-methylsulfonyl-4-(3-oxidanylprop-1-ynyl)-7-phenylmethoxy-indole-2-carboxylate

Systemtic Name: methyl 5-(methoxycarbonylamino)-1-methylsulfonyl-4-(3-oxidanylprop-1-ynyl)-7-phenylmethoxy-indole-2-carboxylate Openeye Name: methyl 7-benzyloxy-4-(3-hydroxyprop-1-ynyl)-5-(methoxycarbonylamino)-1-methylsulfonyl-indole-2-carboxylate CAS Name: 4-(3-hydroxyprop-1-ynyl)-5-(methoxycarbonylamino)-1-methylsulfonyl-7-phenylmethoxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-hydroxyprop-1-ynyl)-5-(methoxycarbonylamino)-1-methylsulfonyl-7-phenylmethoxyindole-2-carboxylate Traditional Name: 7-benzoxy-5-(carbomethoxyamino)-4-(3-hydroxyprop-1-ynyl)-1-mesyl-indole-2-carboxylic acid methyl ester Formula: C23H22N2O8S MolecularWeight: 486.49438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C(=CC(=C2N1S(=O)(=O)C)OCC3=CC=CC=C3)NC(=O)OC)C#CCO

Isomeric SMILES

COC(=O)C1=CC2=C(C(=CC(=C2N1S(=O)(=O)C)OCC3=CC=CC=C3)NC(=O)OC)C#CCO

InChI

InChI=1S/C23H22N2O8S/c1-31-22(27)19-12-17-16(10-7-11-26)18(24-23(28)32-2)13-20(21(17)25(19)34(3,29)30)33-14-15-8-5-4-6-9-15/h4-6,8-9,12-13,26H,11,14H2,1-3H3,(H,24,28)