methyl 3-[(1-azanyl-3-phenyl-propan-2-yl)amino]-5-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(1-azanyl-3-phenyl-propan-2-yl)amino]-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-(aminomethyl)-2-phenyl-ethyl]amino]-5-methoxy-benzothiophene-2-carboxylate CAS Name: 3-[(1-amino-3-phenylpropan-2-yl)amino]-5-methoxy-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(1-amino-3-phenylpropan-2-yl)amino]-5-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-[[1-(aminomethyl)-2-phenyl-ethyl]amino]-5-methoxy-benzothiophene-2-carboxylic acid methyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=C2NC(CC3=CC=CC=C3)CN)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=C2NC(CC3=CC=CC=C3)CN)C(=O)OC

InChI

InChI=1S/C20H22N2O3S/c1-24-15-8-9-17-16(11-15)18(19(26-17)20(23)25-2)22-14(12-21)10-13-6-4-3-5-7-13/h3-9,11,14,22H,10,12,21H2,1-2H3