[2-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H19N3O4S/c1-10-2-3-12-13(8-10)26-17(15(12)16(19)23)21-14(22)9-25-18(24)11-4-6-20-7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H2,19,23)(H,21,22)