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

Systemtic Name: methyl 3-[(1-azanyl-3-methyl-butan-2-yl)amino]-5-methoxy-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-(aminomethyl)-2-methyl-propyl]amino]-5-methoxy-benzothiophene-2-carboxylate CAS Name: 3-[(1-amino-3-methylbutan-2-yl)amino]-5-methoxy-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(1-amino-3-methylbutan-2-yl)amino]-5-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-[[1-(aminomethyl)-2-methyl-propyl]amino]-5-methoxy-benzothiophene-2-carboxylic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN)NC1=C(SC2=C1C=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CC(C)C(CN)NC1=C(SC2=C1C=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C16H22N2O3S/c1-9(2)12(8-17)18-14-11-7-10(20-3)5-6-13(11)22-15(14)16(19)21-4/h5-7,9,12,18H,8,17H2,1-4H3