methyl 7-(3-acetyloxypropoxy)-5-(methoxycarbonylamino)-4-[(2S)-3-methylsulfonyloxy-2-phenylmethoxy-propyl]-1H-indole-2-carboxylate

Systemtic Name: methyl 7-(3-acetyloxypropoxy)-5-(methoxycarbonylamino)-4-[(2S)-3-methylsulfonyloxy-2-phenylmethoxy-propyl]-1H-indole-2-carboxylate Openeye Name: methyl 7-(3-acetoxypropoxy)-4-[(2S)-2-benzyloxy-3-methylsulfonyloxy-propyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate CAS Name: 7-(3-acetyloxypropoxy)-5-(methoxycarbonylamino)-4-[(2S)-3-methylsulfonyloxy-2-phenylmethoxypropyl]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 7-(3-acetyloxypropoxy)-5-(methoxycarbonylamino)-4-[(2S)-3-methylsulfonyloxy-2-phenylmethoxypropyl]-1H-indole-2-carboxylate Traditional Name: 7-(3-acetoxypropoxy)-4-[(2S)-2-benzoxy-3-methylsulfonyloxy-propyl]-5-(carbomethoxyamino)-1H-indole-2-carboxylic acid methyl ester Formula: C28H34N2O11S MolecularWeight: 606.64136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC1=C2C(=C(C(=C1)NC(=O)OC)CC(COS(=O)(=O)C)OCC3=CC=CC=C3)C=C(N2)C(=O)OC

Isomeric SMILES

CC(=O)OCCCOC1=C2C(=C(C(=C1)NC(=O)OC)C[C@@H](COS(=O)(=O)C)OCC3=CC=CC=C3)C=C(N2)C(=O)OC

InChI

InChI=1S/C28H34N2O11S/c1-18(31)38-11-8-12-39-25-15-23(30-28(33)37-3)21(22-14-24(27(32)36-2)29-26(22)25)13-20(17-41-42(4,34)35)40-16-19-9-6-5-7-10-19/h5-7,9-10,14-15,20,29H,8,11-13,16-17H2,1-4H3,(H,30,33)/t20-/m0/s1