methyl 3-[(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[(6-methyl-2,3-dihydrobenzothiophene-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[(6-methyl-2,3-dihydro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[(6-methyl-2,3-dihydrobenzothiophene-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C20H21NO3S/c1-13-8-9-15-11-18(25-17(15)10-13)20(23)21-16(12-19(22)24-2)14-6-4-3-5-7-14/h3-10,16,18H,11-12H2,1-2H3,(H,21,23)