methyl 2-[1-azanyl-4-(3-azanyl-4-oxidanyl-phenyl)-1-oxidanylidene-butan-2-yl]-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[1-azanyl-4-(3-azanyl-4-oxidanyl-phenyl)-1-oxidanylidene-butan-2-yl]-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(3-amino-4-hydroxy-phenyl)-1-carbamoyl-propyl]-2,3,3a,7a-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[1-amino-4-(3-amino-4-hydroxyphenyl)-1-oxobutan-2-yl]-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-amino-4-(3-amino-4-hydroxyphenyl)-1-oxobutan-2-yl]-2,3,3a,7a-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(3-amino-4-hydroxy-phenyl)-1-carbamoyl-propyl]-2,3,3a,7a-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2C=CC=CC2SC1C(CCC3=CC(=C(C=C3)O)N)C(=O)N

Isomeric SMILES

COC(=O)C1C2C=CC=CC2SC1C(CCC3=CC(=C(C=C3)O)N)C(=O)N

InChI

InChI=1S/C20H24N2O4S/c1-26-20(25)17-12-4-2-3-5-16(12)27-18(17)13(19(22)24)8-6-11-7-9-15(23)14(21)10-11/h2-5,7,9-10,12-13,16-18,23H,6,8,21H2,1H3,(H2,22,24)