[2-[(2R)-2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(2R)-2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxidanylidene-ethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium Openeye Name: allyl-[2-[(2R)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: [2-[(2R)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-prop-2-enyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(2R)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl]-prop-2-enyl-(thiophen-2-ylmethyl)azanium Traditional Name: allyl-[2-[(2R)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-keto-ethyl]-(2-thenyl)ammonium Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=CS1)CC(=O)N2CC(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

C=CC[NH+](CC1=CC=CS1)CC(=O)N2C[C@@H](OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C19H21N3O3S/c1-2-9-21(11-14-6-5-10-26-14)13-18(23)22-12-17(19(20)24)25-16-8-4-3-7-15(16)22/h2-8,10,17H,1,9,11-13H2,(H2,20,24)/p+1/t17-/m1/s1