methyl 2-[[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-oxidanyl-3H-1-benzothiophen-2-yl]phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-oxidanyl-3H-1-benzothiophen-2-yl]phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[4-[2-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-benzothiophen-2-yl]anilino]-2-oxo-acetate CAS Name: 2-[4-[2-hydroxy-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-3H-1-benzothiophen-2-yl]anilino]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[4-[2-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-1-benzothiophen-2-yl]anilino]-2-oxoacetate Traditional Name: 2-[4-[2-hydroxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]-3H-benzothiophen-2-yl]anilino]-2-keto-acetic acid methyl ester Formula: C30H32N2O5S MolecularWeight: 532.65048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2C3=CC=CC=C3SC2(C4=CC=C(C=C4)NC(=O)C(=O)OC)O)CN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)CC2C3=CC=CC=C3SC2(C4=CC=C(C=C4)NC(=O)C(=O)OC)O)CN5CCCC5

InChI

InChI=1S/C30H32N2O5S/c1-36-26-18-20(9-10-21(26)19-32-15-5-6-16-32)17-25-24-7-3-4-8-27(24)38-30(25,35)22-11-13-23(14-12-22)31-28(33)29(34)37-2/h3-4,7-14,18,25,35H,5-6,15-17,19H2,1-2H3,(H,31,33)