7-[(3-ethoxy-2-indol-1-yl-3-oxidanylidene-propanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(3-ethoxy-2-indol-1-yl-3-oxidanylidene-propanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(3-ethoxy-2-indol-1-yl-3-oxo-propanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[3-ethoxy-2-(1-indolyl)-1,3-dioxopropyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(3-ethoxy-2-indol-1-yl-3-oxopropanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(3-ethoxy-2-indol-1-yl-3-keto-propanoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)NC1C2N(C1=O)C(=C(CS2)C)C(=O)O)N3C=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C(C(=O)NC1C2N(C1=O)C(=C(CS2)C)C(=O)O)N3C=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O6S/c1-3-30-21(29)16(23-9-8-12-6-4-5-7-13(12)23)17(25)22-14-18(26)24-15(20(27)28)11(2)10-31-19(14)24/h4-9,14,16,19H,3,10H2,1-2H3,(H,22,25)(H,27,28)