methyl (3R)-2-[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C18H19N3O4S/c1-25-18(24)14-8-11-4-2-3-5-12(11)9-21(14)10-15(22)20-17-13(16(19)23)6-7-26-17/h2-7,14H,8-10H2,1H3,(H2,19,23)(H,20,22)/t14-/m1/s1